Research workbench
Crystal structure of a bag domain in complex with the HSC70 ATPase domain
Analyse Crystal structure of a bag domain in complex with the HSC70 ATPase domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HX1
- Type
- protein
- Length
- 489 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock 70 kda protein 8; Bag family molecular chaperone regulator 1
- UniProt
- P19120, Q99933
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock 70 kda protein 8 | protein | 377 | 41% helix, 29% strand | P19120 |
| B | Bag family molecular chaperone regulator 1 | protein | 112 | 79% helix, 0% strand | Q99933 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 835 | 0.73 | 0.78 | 73 | TRS |
| 2 | 69 | 0.35 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1074 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1HX1 · Crystal structure of a bag domain in complex with the HSC70 ATPase domain · the same entry in another collection · chain B against B, TM-score 1.00
- Q99933 · AlphaFold monomer V2.0 prediction for bag family molecular chaperone regulator 1 (Q99933) · a predicted model of the same protein · chain B against A, TM-score 0.93
- P19120 · AlphaFold monomer V2.0 prediction for heat shock cognate 71 kda protein (P19120) · a predicted model of the same protein · chain A against A, TM-score 0.84
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P19120
- Every structure of UniProt Q99933
- Elsewhere: RCSB PDB 1HX1 · PDBe 1HX1 · UniProt P19120 · UniProt Q99933
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